bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole

C128H248N24 — CID 157157111

About bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole

bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole (PubChem CID 157157111) has the molecular formula C128H248N24 and a molecular weight of 2123.56 g/mol. Its IUPAC name is bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole.

Molecular Properties

• Compound Name: bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole
• PubChem CID: 157157111
• Molecular Formula: C128H248N24
• Molecular Weight: 2123.56 g/mol
• Exact Mass: 2122.01
• IUPAC Name: bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole
• SMILES: CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCc1cn(CC(C)C)nn1.CC(C)CCCCCc1cn(CCCC(C)C)nn1
• InChI: InChI=1S/2C17H33N3.5C16H31N3.C14H27N3/c2*1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4;1-14(2)9-6-5-7-11-16-13-19(18-17-16)12-8-10-15(3)4;2*1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4;2*1-14(2)9-7-5-6-8-10-16-13-19(18-17-16)12-11-15(3)4;1-12(2)8-6-5-7-9-14-11-17(16-15-14)10-13(3)4/h2*14-16H,5-13H2,1-4H3;5*13-15H,5-12H2,1-4H3;11-13H,5-10H2,1-4H3
• InChIKey: ALYBTUFQDDCTDN-UHFFFAOYSA-N
• XLogP: 35.79
• TPSA: 245.68 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 80
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.56
LogP ≤ 5	35.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole?

The IUPAC name of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole (CID 157157111) is bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole.

What is the SMILES notation for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole?

The canonical SMILES for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole is CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCc1cn(CCC(C)C)nn1.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCCn1nncc1CCC(C)C.CC(C)CCCCCc1cn(CC(C)C)nn1.CC(C)CCCCCc1cn(CCCC(C)C)nn1.

What is the InChIKey of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole?

The InChIKey is ALYBTUFQDDCTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H33N3.5C16H31N3.C14H27N3/c2*1-15(2)10-8-6-5-7-9-13-20-17(14-18-19-20)12-11-16(3)4;1-14(2)9-6-5-7-11-16-13-19(18-17-16)12-8-10-15(3)4;2*1-14(2)9-7-5-6-8-12-19-16(13-17-18-19)11-10-15(3)4;2*1-14(2)9-7-5-6-8-10-16-13-19(18-17-16)12-11-15(3)4;1-12(2)8-6-5-7-9-14-11-17(16-15-14)10-13(3)4/h2*14-16H,5-13H2,1-4H3;5*13-15H,5-12H2,1-4H3;11-13H,5-10H2,1-4H3.

What are the key properties of bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole?

bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole has a molecular weight of 2123.56 g/mol, XLogP of 35.79, 80 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-(3-methylbutyl)-1-(8-methylnonyl)triazole);bis(1-(3-methylbutyl)-4-(7-methyloctyl)triazole);bis(5-(3-methylbutyl)-1-(7-methyloctyl)triazole);4-(6-methylheptyl)-1-(4-methylpentyl)triazole;4-(6-methylheptyl)-1-(2-methylpropyl)triazole is sourced from PubChem (CID 157157111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).